3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one

C16H19NO2S — CID 46232024

IUPAC3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C16H19NO2S/c18-10-9-17(12-14-4-2-1-3-5-14)8-6-16(19)15-7-11-20-13-15/h1-5,7,11,13,18H,6,8-10,12H2
InChIKeyBQCLCGWWBGBEGZ-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.82
Rot. Bonds8

About 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one

3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one (PubChem CID 46232024) has the molecular formula C16H19NO2S and a molecular weight of 289.40 g/mol. Its IUPAC name is 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one.

Molecular Properties

Compound Name3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one
PubChem CID46232024
Molecular FormulaC16H19NO2S
Molecular Weight289.40 g/mol
Exact Mass289.11
IUPAC Name3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one
SMILESO=C(CCN(CCO)Cc1ccccc1)c1ccsc1
InChIInChI=1S/C16H19NO2S/c18-10-9-17(12-14-4-2-1-3-5-14)8-6-16(19)15-7-11-20-13-15/h1-5,7,11,13,18H,6,8-10,12H2
InChIKeyBQCLCGWWBGBEGZ-UHFFFAOYSA-N
XLogP2.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Benzyl(tert-butyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46232276
[1-(2-Hydroxyethyl)-3-piperidinyl](3-methyl-2-thienyl)methanone
CID 16190344
1-(4-{[4-Benzyl-3-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-thienyl)ethanone
CID 16191218
1-Propanone, 3-[methyl(phenylmethyl)amino]-1-(2-thienyl)-
CID 11253954
3-[Benzyl(ethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231812
3-[Benzyl(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231871
3-[Bis(2-hydroxyethyl)amino]-1-thiophen-2-ylpropan-1-one
CID 46231874
3-[Benzyl(2-hydroxyethyl)amino]-1-(5-chlorothiophen-2-yl)propan-1-one
CID 46231952
3-[Benzyl(propan-2-yl)amino]-1-thiophen-3-ylpropan-1-one
CID 46232020
3-[Benzyl(methyl)amino]-1-thiophen-3-ylpropan-1-one
CID 46232023
3-[Benzyl(propan-2-yl)amino]-1-thiophen-2-ylpropan-1-one
CID 46232277
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one?
The IUPAC name of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one (CID 46232024) is 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one.
What is the SMILES notation for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one?
The canonical SMILES for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one is O=C(CCN(CCO)Cc1ccccc1)c1ccsc1.
What is the InChIKey of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one?
The InChIKey is BQCLCGWWBGBEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2S/c18-10-9-17(12-14-4-2-1-3-5-14)8-6-16(19)15-7-11-20-13-15/h1-5,7,11,13,18H,6,8-10,12H2.
What are the key properties of 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one?
3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one has a molecular weight of 289.40 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2-hydroxyethyl)amino]-1-thiophen-3-ylpropan-1-one is sourced from PubChem (CID 46232024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).